Dynamics of protein-protein encounter: a Langevin equation approach with reaction patches

We study the formation of protein-protein encounter complexes with a Langevin equation approach that considers direct, steric and thermal forces. As three model systems with distinctly different properties we consider the pairs barnase:barstar, cytochrome c:cytochrome c peroxidase and p53:MDM2. In each case, proteins are modeled either as spherical particles, as dipolar spheres or as collection of several small beads with one dipole. Spherical reaction patches are placed on the model proteins according to the known experimental structures of the protein complexes. In the computer simulations, concentration is varied by changing box size. Encounter is defined as overlap of the reaction patches and the corresponding first passage times are recorded together with the number of unsuccessful contacts before encounter. We find that encounter frequency scales linearly with protein concentration, thus proving that our microscopic model results in a well-defined macroscopic encounter rate. The number of unsuccessful contacts before encounter decreases with increasing encounter rate and ranges from 20-9000. For all three models, encounter rates are obtained within one order of magnitude of the experimentally measured association rates. Electrostatic steering enhances association up to 50-fold. If diffusional encounter is dominant (p53:MDM2) or similarly important as electrostatic steering (barnase:barstar), then encounter rate decreases with decreasing patch radius. More detailed modeling of protein shapes decreases encounter rates by 5-95 percent. Our study shows how generic principles of protein-protein association are modulated by molecular features of the systems under consideration. Moreover it allows us to assess different coarse-graining strategies for the future modelling of the dynamics of large protein complexes

Eportfolio and learning styles in clinical nursing education

This study reports the use of electronic portfolio in clinical nursing education. The study is part of a larger study investigating learning mediated by ePortfolio. The method takes a phenomenological-hermeneutic approach. The setting was a ten-week clinical course in basic nursing. The participants were 11 first-year students randomly selected. Data were generated by participant observations, interviews and portfolio documents. Findings showed that the ePortfolio was used individually and mostly at home. Using ePortfolio in the ward is more time-consuming. The ePortfolio was used to reflect on practice and one´s own learning process. The principal initiators were emotional involvement in clinical nursing, consciousness of learning through writing; ponder over practice, and a confident and constructive student-preceptor relationship. Inhibitors were vulnerability, a preconception that one learns only in one way, lack of supervision about how to learn. The study showed some but not unambiguous connection between preferred learning styles and ePortfolio use

Temporal and spatial variations of gyne production in the ant Formica exsecta

Social insects have become a general model for tests of sex allocation theory. However, despite tremendous interest in the topic, we still know remarkably little about the factors that cause dramatic differences in sex allocation among local populations. A number of studies have suggested that environmental factors may influence sex allocation in ant populations. In polygynous (multiple queens per nest) populations of the ant Formica exsecta, sex allocation is extremely male biased at the population level, with only a small proportion of nests producing any gynes (female reproductive brood). We analysed the proportion of gyne-producing nests in 12 F. exsecta populations during three successive breeding seasons and found considerable temporal and spatial variability in the proportion of gyne-producing nests. The populations differed in a number of characteristics, including elevation, nest density, size of the nest mound, and number of nests per population. However, the proportion of gyne-producing nests was not associated with any of these geographic and demographic variables. Moreover, differences between populations in the production of gynes were not consistent between years. Thus, the proportion of gyne-producing nests appears to vary stochastically, perhaps because of stochastic variations in environmental factors. For example, year-to-year variations in the proportion of gyne-producing nests were associated with differences in spring weather conditions between years. The finding that gyne production varies greatly between years suggests that it may not always be adaptive at a local scale

A Fascinating Polynomial Sequence arising from an Electrostatics Problem on the Sphere

A positive unit point charge approaching from infinity a perfectly spherical isolated conductor carrying a total charge of +1 will eventually cause a negatively charged spherical cap to appear. The determination of the smallest distance $\rho(d)$ ($d$ is the dimension of the unit sphere) from the point charge to the sphere where still all of the sphere is positively charged is known as Gonchar's problem. Using classical potential theory for the harmonic case, we show that $1+\rho(d)$ is equal to the largest positive zero of a certain sequence of monic polynomials of degree $2d-1$ with integer coefficients which we call Gonchar polynomials. Rather surprisingly, $\rho(2)$ is the Golden ratio and $\rho(4)$ the lesser known Plastic number. But Gonchar polynomials have other interesting properties. We discuss their factorizations, investigate their zeros and present some challenging conjectures.Comment: 12 pages, 6 figures, 1 tabl

Health reform requires policy capacity

Health reform requires policy capacity Pierre-Gerlier Forest 1 * , Jean-Louis Denis 2 , Lawrence D. Brown 3 , David Helms 4 Abstract Among the many reasons that may limit the adoption of promising reform ideas, policy capacity is the least recognized. The concept itself is not widely understood. Although policy capacity is concerned with the gathering of information and the formulation of options for public action in the initial phases of policy consultation and development, it also touches on all stages of the policy process, from the strategic identification of a problem to the actual development of the policy, its formal adoption, its implementation, and even further, its evaluation and continuation or modification. Expertise in the form of policy advice is already widely available in and to public administrations, to well-established professional organizations like medical societies and, of course, to large private-sector organizations with commercial or financial interests in the health sector. We need more health actors to join the fray and move from their traditional position of advocacy to a fuller commitment to the development of policy capacity, with all that it entails in terms of leadership and social responsibilit

Reconfigurable ferromagnetic liquid droplets.

Solid ferromagnetic materials are rigid in shape and cannot be reconfigured. Ferrofluids, although reconfigurable, are paramagnetic at room temperature and lose their magnetization when the applied magnetic field is removed. Here, we show a reversible paramagnetic-to-ferromagnetic transformation of ferrofluid droplets by the jamming of a monolayer of magnetic nanoparticles assembled at the water-oil interface. These ferromagnetic liquid droplets exhibit a finite coercivity and remanent magnetization. They can be easily reconfigured into different shapes while preserving the magnetic properties of solid ferromagnets with classic north-south dipole interactions. Their translational and rotational motions can be actuated remotely and precisely by an external magnetic field, inspiring studies on active matter, energy-dissipative assemblies, and programmable liquid constructs

Brain tissue properties differentiate between motor and limbic basal ganglia circuits

Despite advances in understanding basic organizational principles of the human basal ganglia, accurate in vivo assessment of their anatomical properties is essential to improve early diagnosis in disorders with corticosubcortical pathology and optimize target planning in deep brain stimulation. Main goal of this study was the detailed topological characterization of limbic, associative, and motor subdivisions of the subthalamic nucleus (STN) in relation to corresponding corticosubcortical circuits. To this aim, we used magnetic resonance imaging and investigated independently anatomical connectivity via white matter tracts next to brain tissue properties. On the basis of probabilistic diffusion tractography we identified STN subregions with predominantly motor, associative, and limbic connectivity. We then computed for each of the nonoverlapping STN subregions the covariance between local brain tissue properties and the rest of the brain using high-resolution maps of magnetization transfer (MT) saturation and longitudinal (R1) and transverse relaxation rate (R2*). The demonstrated spatial distribution pattern of covariance between brain tissue properties linked to myelin (R1 and MT) and iron (R2*) content clearly segregates between motor and limbic basal ganglia circuits. We interpret the demonstrated covariance pattern as evidence for shared tissue properties within a functional circuit, which is closely linked to its function. Our findings open new possibilities for investigation of changes in the established covariance pattern aiming at accurate diagnosis of basal ganglia disorders and prediction of treatment outcom

Accuracy and Precision of Age Estimates for Pallid Sturgeon from Pectoral Fin Rays

Accurate age information is critical to the biological understanding and management of most fish species, but particularly for species of concern, such as the pallid sturgeon Scaphirhynchus albus. The accuracy and precision of pallid sturgeon age estimates from pectoral fin ray sections has never been established, yet all accumulated age information for the species was collected using this technique. To examine the accuracy and precision of age estimates, 16 pectoral fin ray samples from age-6 pallid sturgeon were obtained from Gavins Point National Fish Hatchery, South Dakota. The fin rays were sectioned, mounted, and independently examined twice by each of two readers. Only 28.1% of the age estimates accurately reflected the known age of the fish. Multiple readings of the same sample by the same reader (within-reader precision) only agreed 25% of the time, differences being as great as 5 years between the two estimates. Between-reader agreement was 46.9%, the two readers\u27 estimates of the same fish differing by as much as 2 years. Because of low accuracy and precision, estimated ages from pallid sturgeon pectoral fin rays should be viewed with caution